随着化学工业的发展，新化学物质在人类日常活动中不断涌现。新化学物质会在生产、加工、使用以及含新化学品废物处理等过程中向环境中释放，形成新污染物，而目前识别的新污染物种类是非常有限的，其对人体造成的健康效应还缺少全面评估。因此，精准识别环境中的新污染物，评估其环境与健康风险是环境保护领域的一项具有挑战性的工作。全二维色谱-高分辨质谱法是筛查并鉴别环境中新污染物的有力工具，近年来在环境分析领域得到广泛应用。以"全二维气相色谱"为关键词在Web of Science核心合集数据库中检索相关文献得到约3000条结果。基于全二维气相色谱(GCxGC)的优异分离能力，其主要用于挥发性、半挥发性新污染物筛查。本文综述了基于全二维气相色谱-质谱法的新污染物筛查方法(疑似筛查和非靶向筛查)及流程，包括样品制备、仪器分析、数据处理、化合物结构鉴定和风险评估5个步骤。同时，总结了近10年来全二维气相色谱-质谱法在筛查不同环境基质中(包括水、空气、土壤、沉积物和生物等)新污染物取得的进展。最后，本文提出了全二维气相色谱-质谱法在筛查环境中的新污染物中面临的挑战以及未来的发展趋势。
Application of comprehensive two-dimensional gas chromatography coupled with mass spectrometry in screening of emerging contaminants
In recent years,many new synthetic chemicals have emerged.When these chemicals are used,contaminants are released into the environment,posing a threat to the ecosystem and human health.However,information on the risks of some contaminants is limited or missing.Thus,the human health effects of unknown toxic contaminants might be overlooked.Hence,identifying emerging contaminants with high environmental risk is crucial.With the advent of high-resolution mass spectrometry(HRMS),complex compounds in the environment can be identified,fulfilling a prerequisite for screening priority contaminants with high toxicity and potential risk.Comprehensive two-dimensional gas chromatography(GC×GC)has a large peak capacity and strong separation ability,and is suitable for separating and analyzing complex samples.As a result,it has been increasingly used in conjunction with HRMS for screening emerging contaminants in the environment.This paper reviews the screening methods for emerging contaminants by comprehensive two-dimensional gas chromatography coupled with mass spectrometry.These screening methods are divided into two types:Nontarget analysis and suspect screening.The screening workflow of the aforementioned methods consists of five steps:sample preparation,instrumental analysis,data processing,substance identification,and risk assessment.Furthermore,the applications for screening emerging contaminants in various matrices by comprehensive two-dimensional gas chromatography coupled with mass spectrometry since 2013 are summarized,including water,air,soil,sediment,and organisms.Water samples include drinking water,surface water,wastewater,rainwater,cloud water,and snow.Many corresponding pretreatment techniques have been developed to extract as many compounds as possible.The main emerging contaminants that are typically screened include pharmaceuticals and personal care products,phenolic compounds,and polycyclic aromatic hydrocarbons(PAHs).Air samples refer to gas and particle phases.PAHs other than the 16 PAHs listed by the U.S.Environmental Protection Agency are often the subject of screening.Several other contaminants are also commonly screened,including organonitrogen compounds,halogenated organic compounds(HOCs),and the compounds from the Toxcast database.Soil and sediment samples are commonly the most contaminated.The matrix of soil and sediment is complex,and there are many types of contaminants.GC×GC enables separation of these complex compounds.PAHs,N-containing compounds,and HOCs are commonly screened most frequently.Finally,studies on screening biological samples for emerging contaminants are summarized.There are few studies on human samples,and only few pertinent studies have been conducted on breast milk and human urine.Regarding other biological samples,most studies have screened HOCs in marine organisms,ranging from plankton at low trophic levels to dolphins at high trophic levels.Then,the challenges and solutions of screening for emerging contaminants are presented.Finally,screening of emerging contaminants by comprehensive two-dimensional gas chromatography coupled with mass spectrometry is an active area of environmental research.For example,comprehensive two-dimensional gas chromatography coupled with mass spectrometry can identify emerging contaminants in contaminated sites.The identified compounds can be included in the list of priority emerging contaminants in a manner that provides a basis for national efforts to control emerging contaminants.Furthermore,screening for emerging contaminants by comprehensive two-dimensional gas chromatography coupled with mass spectrometry can be combined with chemical environmental risk assessments.The toxicity of identified high-level or high detection frequency compounds can be predicted by quantitative structure-activity relationship or other models.Environmental risk assessment of such compounds,based on their toxicity and concentration,enables screening of high-risk contaminants.
comprehensive two-dimensional gas chromatographymass spectrometryemerging contaminantsnon-target analysis
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